0 B18R3.117422 CN(C)c1ncnc2c1oc3c2cccc3 WXVL_AN0032LP0572 [0,0,0,0,0,0|4,0,0]=4 1 B18R3.117422 CN(C)c1ncnc2c1oc3c2cccc3 WXVL_AN0032LP0572 [0,0,0,0,0,0|4,0,0]=4 2 B18R3.117422 NC(=O)c1cccc2c1oc3c2cccc3 WXVL_AK0084SE1474 [0,0,0,0,0,0|3,0,0]=3 3 B18R3.117422 NC(=O)c1cccc2c1oc3c2cccc3 WXVL_AK0084SE1474 [0,0,0,0,0,0|3,0,0]=3 4 B18R3.117422 NC(=O)c1cccc2c1sc3c2cccc3 WXVL_AK0084SE1321 [0,0,0,0,0,0|3,0,0]=3 5 B18R3.117422 NC(=O)c1cccc2c1sc3c2cccc3 WXVL_AK0084SE1321 [0,0,0,0,0,0|3,0,0]=3 6 B17R3.633 CNc1ncnc2c1oc3c2cccc3 WXVL_AK00442LP0572 [1,0,0,0,0,0|3,0,0]=4 7 B17R3.633 CNc1ncnc2c1oc3c2cccc3 WXVL_AK00442LP0572 [1,0,0,0,0,0|3,0,0]=4 8 B19R3.246468 CNC(=O)c1cccc2c1oc3c2cccc3 WXVL_AK00442SE1474 [0,1,0,0,0,0|2,0,0]=3 9 B19R3.246468 CNC(=O)c1cccc2c1oc3c2cccc3 WXVL_AK00442SE1474 [0,1,0,0,0,0|2,0,0]=3 10 B19R3.246468 CNC(=O)c1cccc2c1sc3c2cccc3 WXVL_AK00442SE1321 [0,1,0,0,0,0|2,0,0]=3 11 B19R3.246468 CNC(=O)c1cccc2c1sc3c2cccc3 WXVL_AK00442SE1321 [0,1,0,0,0,0|2,0,0]=3 12 B17R2.3948 Cc1ccccc1c2cccc(c2)C(=O)N WXVL_AK0084SD1035 [0,0,1,0,0,0|3,0,0]=4 13 B17R2.3948 Cc1ccccc1c2cccc(c2)C(=O)N WXVL_AK0084SD1035 [0,0,1,0,0,0|3,0,0]=4 14 B17R2.3948 NC(=O)c1cccc(c1)c2ccccc2Cl WXVL_AK0084SD1767 [0,0,1,0,0,0|3,0,0]=4 15 B17R2.3948 NC(=O)c1cccc(c1)c2ccccc2Cl WXVL_AK0084SD1767 [0,0,1,0,0,0|3,0,0]=4 16 B17R2.5618 CC(=O)c1ccccc1Nc2ccncn2 WXVL_AG1053LP3358 [0,0,1,0,0,0|3,0,0]=4 17 B17R2.5618 CC(=O)c1ccccc1Nc2ccncn2 WXVL_AG1053LP3358 [0,0,1,0,0,0|3,0,0]=4 18 B17R2.5618 CC(=O)c1ccccc1Nc2ncccn2 WXVL_AG1053LP0002 [0,0,1,0,0,0|3,0,0]=4 19 B17R2.5618 CC(=O)c1ccccc1Nc2ncccn2 WXVL_AG1053LP0002 [0,0,1,0,0,0|3,0,0]=4 20 B17R2.5618 NC(=O)c1ccccc1Cc2ccccc2 WXVL_AK0084SD0039 [0,0,1,0,0,0|3,0,0]=4 21 B17R2.5618 NC(=O)c1ccccc1Cc2ccccc2 WXVL_AK0084SD0039 [0,0,1,0,0,0|3,0,0]=4 22 B17R2.5618 NC(=O)c1ccccc1Oc2ccccc2 WXVL_AK0084SD0015 [0,0,1,0,0,0|3,0,0]=4 23 B17R2.5618 NC(=O)c1ccccc1Oc2ccccc2 WXVL_AK0084SD0015 [0,0,1,0,0,0|3,0,0]=4 24 B17R2.5618 NC(=O)c1ncccc1Nc2ccncn2 WXVL_AF1129LP3358 [0,0,1,0,0,0|3,0,0]=4 25 B17R2.5618 NC(=O)c1ncccc1Nc2ccncn2 WXVL_AF1129LP3358 [0,0,1,0,0,0|3,0,0]=4 26 B17R2.5618 NC(=O)c1ncccc1Nc2ncccn2 WXVL_AF1129LP0002 [0,0,1,0,0,0|3,0,0]=4 27 B17R2.5618 NC(=O)c1ncccc1Nc2ncccn2 WXVL_AF1129LP0002 [0,0,1,0,0,0|3,0,0]=4 28 B17R2.24238 NC(=O)c1cccc(c1O)c2ccccc2 WXVL_AK0084SD0258 [0,0,1,0,0,0|3,0,0]=4 29 B17R2.24238 NC(=O)c1cccc(c1O)c2ccccc2 WXVL_AK0084SD0258 [0,0,1,0,0,0|3,0,0]=4 30 B19R3.197545 CC(=O)Nc1cccc2c1oc3c2cccc3 WXVL_AG2738SB0150 [0,0,0,0,0,1|2,0,0]=3 31 B19R3.197545 CC(=O)Nc1cccc2c1oc3c2cccc3 WXVL_AG2738SB0150 [0,0,0,0,0,1|2,0,0]=3 32 B19R3.655141 NC(=O)c1cccc2c1nc3c(c2)cccc3 WXVL_AK0084SD00137 [0,0,0,0,0,1|2,0,1]=4 33 B19R3.655141 NC(=O)c1cccc2c1nc3c(c2)cccc3 WXVL_AK0084SD00137 [0,0,0,0,0,1|2,0,1]=4 34 B16R2.86 NC(=O)c1cccc(c1)c2ccccc2 WXVL_AK0084SD0423 [1,0,1,0,0,0|2,0,0]=4 35 B16R2.86 NC(=O)c1cccc(c1)c2ccccc2 WXVL_AK0084SD0423 [1,0,1,0,0,0|2,0,0]=4 36 B16R2.2415 Cc1ccccc1c2cccc(c2)C=O WXVL_QS0055BT1515 [1,0,1,0,0,0|2,0,0]=4 37 B16R2.2415 Cc1ccccc1c2cccc(c2)C=O WXVL_QS0055BT4142 [1,0,1,0,0,0|2,0,0]=4 38 B16R2.2415 Cc1ccccc1c2cccc(c2)C=O WXVL_QS0055BT9252 [1,0,1,0,0,0|2,0,0]=4 39 B16R2.2415 Cc1ccccc1c2ccnc(c2)C=O WXVL_QS1135BT1515 [1,0,1,0,0,0|1,0,0]=3 40 B16R2.2415 Cc1ccccc1c2ccnc(c2)C=O WXVL_QS1135BT4142 [1,0,1,0,0,0|1,0,0]=3 41 B16R2.2415 Cc1ccccc1c2ccnc(c2)C=O WXVL_QS1135BT9252 [1,0,1,0,0,0|1,0,0]=3 42 B16R2.2415 Cc1ccncc1c2ccnc(c2)C=O WXVL_QS1135BT2595 [1,0,1,0,0,0|2,0,0]=4 43 B16R2.2415 Cc1cnccc1c2ccnc(c2)C=O WXVL_QS1135BT9635 [1,0,1,0,0,0|2,0,0]=4 44 B16R2.2415 Cc1ncccc1c2ccnc(c2)C=O WXVL_QS1135BT1625 [1,0,1,0,0,0|2,0,0]=4 45 B16R2.2415 Cc1ncccc1c2ccnc(c2)C=O WXVL_QS1135BT1871 [1,0,1,0,0,0|2,0,0]=4 46 B16R2.2415 O=Cc1cc(ccn1)c2ccccc2F WXVL_QS1135BT1435 [1,0,1,0,0,0|1,0,0]=3 47 B16R2.2415 O=Cc1cc(ccn1)c2ccccc2F WXVL_QS1135BT1901 [1,0,1,0,0,0|1,0,0]=3 48 B16R2.2415 O=Cc1cc(ccn1)c2ccccc2O WXVL_QS1135BT1646 [1,0,1,0,0,0|1,0,0]=3 49 B16R2.2415 O=Cc1cc(ccn1)c2cccnc2F WXVL_QS1135BT0740 [1,0,1,0,0,0|2,0,0]=4 50 B16R2.2415 O=Cc1cc(ccn1)c2cccnc2O WXVL_QS1135BT1653 [1,0,1,0,0,0|2,0,0]=4 51 B16R2.2415 O=Cc1cc(ccn1)c2ccncc2F WXVL_QS1135BT0661 [1,0,1,0,0,0|2,0,0]=4 52 B16R2.2415 O=Cc1cccc(c1)c2ccccc2F WXVL_QS0055BT1435 [1,0,1,0,0,0|2,0,0]=4 53 B16R2.2415 O=Cc1cccc(c1)c2ccccc2F WXVL_QS0055BT1901 [1,0,1,0,0,0|2,0,0]=4 54 B16R2.2415 O=Cc1cccc(c1)c2ccccc2O WXVL_QS0055BT1646 [1,0,1,0,0,0|2,0,0]=4 55 B16R2.24 Cc1c(cccc1c2ccccc2)C=O WXVL_QS2266BT0919 [1,0,1,0,0,0|2,0,0]=4 56 B16R2.24 Cc1c(cccc1c2ccccc2)C=O WXVL_QS2266BT1115 [1,0,1,0,0,0|2,0,0]=4 57 B16R2.24 Cc1c(cccc1c2ccccc2)C=O WXVL_QS2266BT2957 [1,0,1,0,0,0|2,0,0]=4 58 B16R2.24 O=Cc1cccc(c1Br)c2ccccc2 WXVL_QS1866BT0919 [1,0,1,0,0,0|2,0,0]=4 59 B16R2.24 O=Cc1cccc(c1Br)c2ccccc2 WXVL_QS1866BT1115 [1,0,1,0,0,0|2,0,0]=4 60 B16R2.24 O=Cc1cccc(c1Br)c2ccccc2 WXVL_QS1866BT2957 [1,0,1,0,0,0|2,0,0]=4 61 B16R2.24 O=Cc1cccc(c1Cl)c2ccccc2 WXVL_QS2215BT0919 [1,0,1,0,0,0|2,0,0]=4 62 B16R2.24 O=Cc1cccc(c1Cl)c2ccccc2 WXVL_QS2215BT1115 [1,0,1,0,0,0|2,0,0]=4 63 B16R2.24 O=Cc1cccc(c1Cl)c2ccccc2 WXVL_QS2215BT2957 [1,0,1,0,0,0|2,0,0]=4 64 B16R2.24 O=Cc1cccc(c1F)c2ccccc2 WXVL_QS0835BT0919 [1,0,1,0,0,0|2,0,0]=4 65 B16R2.24 O=Cc1cccc(c1F)c2ccccc2 WXVL_QS0835BT1115 [1,0,1,0,0,0|2,0,0]=4 66 B16R2.24 O=Cc1cccc(c1F)c2ccccc2 WXVL_QS0835BT2957 [1,0,1,0,0,0|2,0,0]=4 67 B16R2.24 O=Cc1cccc(c1O)c2ccccc2 WXVL_QS0433BT0919 [1,0,1,0,0,0|2,0,0]=4 68 B16R2.24 O=Cc1cccc(c1O)c2ccccc2 WXVL_QS0433BT1115 [1,0,1,0,0,0|2,0,0]=4 69 B16R2.24 O=Cc1cccc(c1O)c2ccccc2 WXVL_QS0433BT2957 [1,0,1,0,0,0|2,0,0]=4 70 B18R2.9446 CNC(=O)c1cccc(c1)c2ccccc2C WXVL_AK00442SD1035 [0,1,1,0,0,0|2,0,0]=4 71 B18R2.9446 CNC(=O)c1cccc(c1)c2ccccc2C WXVL_AK00442SD1035 [0,1,1,0,0,0|2,0,0]=4 72 B18R2.9446 CNC(=O)c1cccc(c1)c2ccccc2Cl WXVL_AK00442SD1767 [0,1,1,0,0,0|2,0,0]=4 73 B18R2.9446 CNC(=O)c1cccc(c1)c2ccccc2Cl WXVL_AK00442SD1767 [0,1,1,0,0,0|2,0,0]=4 74 B18R2.12470 CC(=O)c1cccc(c1)c2ccccc2C=O WXVL_QS0019BT1197 [0,1,1,0,0,0|2,0,0]=4 75 B18R2.9309 CNC(=O)c1ccccc1Cc2ccccc2 WXVL_AK00442SD0039 [0,1,1,0,0,0|2,0,0]=4 76 B18R2.9309 CNC(=O)c1ccccc1Cc2ccccc2 WXVL_AK00442SD0039 [0,1,1,0,0,0|2,0,0]=4 77 B18R2.9309 CNC(=O)c1ccccc1Oc2ccccc2 WXVL_AK00442SD0015 [0,1,1,0,0,0|2,0,0]=4 78 B18R2.9309 CNC(=O)c1ccccc1Oc2ccccc2 WXVL_AK00442SD0015 [0,1,1,0,0,0|2,0,0]=4 79 B18R2.9309 COC(=O)c1ncccc1Nc2ccncn2 WXVL_AF0343LP3358 [0,1,1,0,0,0|2,0,0]=4 80 B18R2.9309 COC(=O)c1ncccc1Nc2ccncn2 WXVL_AF0343LP3358 [0,1,1,0,0,0|2,0,0]=4 81 B18R2.9309 COC(=O)c1ncccc1Nc2ncccn2 WXVL_AF0343LP0002 [0,1,1,0,0,0|2,0,0]=4 82 B18R2.9309 COC(=O)c1ncccc1Nc2ncccn2 WXVL_AF0343LP0002 [0,1,1,0,0,0|2,0,0]=4 83 B18R2.291 CNC(=O)c1cccc(c1O)c2ccccc2 WXVL_AK00442SD0258 [0,1,1,0,0,0|2,0,0]=4 84 B18R2.291 CNC(=O)c1cccc(c1O)c2ccccc2 WXVL_AK00442SD0258 [0,1,1,0,0,0|2,0,0]=4 85 B20R3.411520 CCC(=O)Nc1cccc2c1oc3c2cccc3 WXVL_AG2738SB0064 [0,1,0,0,0,1|2,0,0]=4 86 B20R3.411520 CCC(=O)Nc1cccc2c1oc3c2cccc3 WXVL_AG2738SB0064 [0,1,0,0,0,1|2,0,0]=4 87 B20R3.411520 O=C(CO)Nc1cccc2c1oc3c2cccc3 WXVL_AG2738SB2706 [0,1,0,0,0,1|2,0,0]=4 88 B20R3.411520 O=C(CO)Nc1cccc2c1oc3c2cccc3 WXVL_AG2738SB2706 [0,1,0,0,0,1|2,0,0]=4 89 B20R3.5938251 CNC(=O)c1cccc2c1nc3c(c2)cccc3 WXVL_AK00442SD00137 [0,1,0,0,0,1|1,0,1]=4 90 B20R3.5938251 CNC(=O)c1cccc2c1nc3c(c2)cccc3 WXVL_AK00442SD00137 [0,1,0,0,0,1|1,0,1]=4 91 B20R3.353551 CCNC(=O)c1cccc2c1oc3c2cccc3 WXVL_AK00476SE1474 [0,2,0,0,0,0|2,0,0]=4 92 B20R3.353551 CCNC(=O)c1cccc2c1oc3c2cccc3 WXVL_AK00476SE1474 [0,2,0,0,0,0|2,0,0]=4 93 B20R3.353551 CCNC(=O)c1cccc2c1sc3c2cccc3 WXVL_AK00476SE1321 [0,2,0,0,0,0|2,0,0]=4 94 B20R3.353551 CCNC(=O)c1cccc2c1sc3c2cccc3 WXVL_AK00476SE1321 [0,2,0,0,0,0|2,0,0]=4 95 B18R3.50 Cc1cncc(c1)c2c[nH]c3c2cccn3 WXVL_LR0626BT1800 [0,0,1,1,0,0|2,0,0]=4 96 B18R3.50 Cc1cncc(c1)c2c[nH]c3c2cncc3 WXVL_LR0785BT1800 [0,0,1,1,0,0|2,0,0]=4 97 B18R3.50 Cc1cncc(c1)c2c[nH]c3c2nccc3 WXVL_LR0638BT1800 [0,0,1,1,0,0|2,0,0]=4 98 B18R3.50 Cc1cncc(c1)c2csc3c2cccc3 WXVL_LR0526BT1800 [0,0,1,1,0,0|2,0,0]=4 99 B18R3.115616 NC(=O)c1ccc2[nH]c3ccccc3c2c1 WXVL_AK0084SE0819 [0,0,1,1,0,0|2,0,0]=4 100 B18R3.115616 NC(=O)c1ccc2[nH]c3ccccc3c2c1 WXVL_AK0084SE0819 [0,0,1,1,0,0|2,0,0]=4 101 B18R3.31448 Cc1nc(c(s1)C)c2cc3ccccc3[nH]2 WXVL_LR1309BT2192 [0,0,1,1,0,0|0,1,1]=4 102 B16R2.87 NC(=O)c1ccccc1c2ccccc2 WXVL_AK0084SD0033 [0,0,1,0,1,0|2,0,0]=4 103 B16R2.87 NC(=O)c1ccccc1c2ccccc2 WXVL_AK0084SD0033 [0,0,1,0,1,0|2,0,0]=4 104 B16R2.87 NC(=O)c1ncccc1c2ccccc2 WXVL_AK0084SC0289 [0,0,1,0,1,0|1,0,0]=3 105 B16R2.87 NC(=O)c1ncccc1c2ccccc2 WXVL_AK0084SC0289 [0,0,1,0,1,0|1,0,0]=3 106 B18R2.7181 CC(=O)Nc1ccccc1Cc2ccccc2 WXVL_AG1734SB0150 [0,0,1,0,0,1|2,0,0]=4 107 B18R2.7181 CC(=O)Nc1ccccc1Cc2ccccc2 WXVL_AG1734SB0150 [0,0,1,0,0,1|2,0,0]=4 108 B18R2.7181 CC(=O)Nc1ccccc1Oc2ccccc2 WXVL_AG0655SB0150 [0,0,1,0,0,1|2,0,0]=4 109 B18R2.7181 CC(=O)Nc1ccccc1Oc2ccccc2 WXVL_AG0655SB0150 [0,0,1,0,0,1|2,0,0]=4 110 B18R2.7181 CC(=O)Nc1ccccc1Sc2ccccc2 WXVL_AG1440SB0150 [0,0,1,0,0,1|2,0,0]=4 111 B18R2.7181 CC(=O)Nc1ccccc1Sc2ccccc2 WXVL_AG1440SB0150 [0,0,1,0,0,1|2,0,0]=4 112 B18R2.7181 CC(=O)Nc1ncccc1Oc2ccccc2 WXVL_AF0228SB0150 [0,0,1,0,0,1|1,0,0]=3 113 B18R2.7181 CC(=O)Nc1ncccc1Oc2ccccc2 WXVL_AF0228SB0150 [0,0,1,0,0,1|1,0,0]=3 114 B20R3.5070115 CC(=O)Nc1cccc2c1nc3c(n2)cccc3 WXVL_AG2020SB0150 [0,0,0,0,0,2|1,0,1]=4 115 B20R3.5070115 CC(=O)Nc1cccc2c1nc3c(n2)cccc3 WXVL_AG2020SB0150 [0,0,0,0,0,2|1,0,1]=4